Crystallography Open Database

Information card for entry 4336263

Preview

Coordinates	4336263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.5 H3.5 Cu0.75 O3.75
Calculated formula	C8.5 H3.5 Cu0.75 O3.75
Title of publication	Design and Synthesis of Two Porous Metal-Organic Frameworks with nboandagw Topologies Showing High CO2 Adsorption Capacity
Authors of publication	Zhiqiang Liang; Jingjing Du; Libo Sun; Jin Xu; Ying Mu; Yi Li; Jihong Yu; Ruren Xu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10720 - 10722
a	18.8028 ± 0.0008 Å
b	18.8028 ± 0.0008 Å
c	51.883 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	15885.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.2102
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.264
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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